CID 5319901

Lupinisoflavone a

Structural Information

Molecular Formula
C20H16O6
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
InChIKey
DOGAHANJPKBCGB-UHFFFAOYSA-N
Compound name
6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1
Patents

352.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.5
[M+Na]+ 375.08392 189.7
[M-H]- 351.08742 187.1
[M+NH4]+ 370.12852 192.2
[M+K]+ 391.05786 186.8
[M+H-H2O]+ 335.09196 173.5
[M+HCOO]- 397.09290 194.4
[M+CH3COO]- 411.10855 190.7
[M+Na-2H]- 373.06937 181.1
[M]+ 352.09415 183.0
[M]- 352.09525 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe